methyl 3-ethenoxy-2-methylidenebut-3-enoate

C8H10O3 — CID 141087571

IUPACmethyl 3-ethenoxy-2-methylidenebut-3-enoate
SMILESC=COC(=C)C(=C)C(=O)OC
InChIInChI=1S/C8H10O3/c1-5-11-7(3)6(2)8(9)10-4/h5H,1-3H2,4H3
InChIKeyBVOADMKINZTXIY-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.39
Rot. Bonds4

About methyl 3-ethenoxy-2-methylidenebut-3-enoate

methyl 3-ethenoxy-2-methylidenebut-3-enoate (PubChem CID 141087571) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is methyl 3-ethenoxy-2-methylidenebut-3-enoate.

Molecular Properties

Compound Namemethyl 3-ethenoxy-2-methylidenebut-3-enoate
PubChem CID141087571
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Namemethyl 3-ethenoxy-2-methylidenebut-3-enoate
SMILESC=COC(=C)C(=C)C(=O)OC
InChIInChI=1S/C8H10O3/c1-5-11-7(3)6(2)8(9)10-4/h5H,1-3H2,4H3
InChIKeyBVOADMKINZTXIY-UHFFFAOYSA-N
XLogP1.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Methyl 3-(2,2-difluoroethoxy)-2-methylidenebut-3-enoate
CID 123631756
2-Methoxy-3-methoxycarbonyl-1,3-pentadiene
CID 21762898
Ethyl 2-(but-3-enoxymethyl)prop-2-enoate
CID 64114546
ethyl (2E)-3-ethoxy-2-(ethoxymethylidene)but-3-enoate
CID 89288703
Methyl 3-methoxy-2-methylidenebut-3-enoate
CID 123350799
3-Methoxy-2-methylidenebut-3-enoic acid
CID 123690326
Tert-butyl 2-methylidene-3-[(2-methylpropan-2-yl)oxy]but-3-enoate
CID 123990148
Ethenyl 3-ethoxy-2-methylidenebutanoate
CID 135144935
Ethyl 3-ethenoxy-2-methylidenebutanoate
CID 139891834
Methyl 3-ethenoxy-2-methylidenebutanoate
CID 139891838
Methyl 3-acetyloxy-2-methylidenebut-3-enoate
CID 141090541
methyl (2E)-2-(1-methoxyethenyl)penta-2,4-dienoate
CID 144299331

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethenoxy-2-methylidenebut-3-enoate?
The IUPAC name of methyl 3-ethenoxy-2-methylidenebut-3-enoate (CID 141087571) is methyl 3-ethenoxy-2-methylidenebut-3-enoate.
What is the SMILES notation for methyl 3-ethenoxy-2-methylidenebut-3-enoate?
The canonical SMILES for methyl 3-ethenoxy-2-methylidenebut-3-enoate is C=COC(=C)C(=C)C(=O)OC.
What is the InChIKey of methyl 3-ethenoxy-2-methylidenebut-3-enoate?
The InChIKey is BVOADMKINZTXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-5-11-7(3)6(2)8(9)10-4/h5H,1-3H2,4H3.
What are the key properties of methyl 3-ethenoxy-2-methylidenebut-3-enoate?
methyl 3-ethenoxy-2-methylidenebut-3-enoate has a molecular weight of 154.16 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethenoxy-2-methylidenebut-3-enoate is sourced from PubChem (CID 141087571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).